Philipimycin
AlkaPlorer ID: AK044981
Synonym: None
IUPAC Name: (2E,4E,6E,8E)-N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-oxoethyl)-3-[(2R)-butan-2-yl]-16-methyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(3-bromo-4-hydroxyphenyl)nona-2,4,6,8-tetraenamide
Structure
SMILES: CC[C@@H](C)[C@@H]1N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](C(C)C)N=C(O)[C@@H](N=C(O)/C=C/C=C/C=C/C=C/C2=CC=C(O)C(Br)=C2)[C@@H](C)OC1=O
InChI: InChI=1S/C38H50BrN7O10/c1-6-21(4)32-38(55)56-22(5)33(44-30(50)14-12-10-8-7-9-11-13-23-15-16-27(47)24(39)17-23)37(54)45-31(20(2)3)36(53)43-25(18-28(40)48)34(51)42-26(19-29(41)49)35(52)46-32/h7-17,20-22,25-26,31-33,47H,6,18-19H2,1-5H3,(H2,40,48)(H2,41,49)(H,42,51)(H,43,53)(H,44,50)(H,45,54)(H,46,52)/b9-7+,10-8+,13-11+,14-12+/t21-,22-,25+,26+,31+,32+,33+/m1/s1
InChIKey: VJNFPXDPZJZUKS-DSJRILELSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinoplanes philippinensis | Actinoplanes | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 844.7610000000002
TPSA？: 297.64
MolLogP？: 6.960140000000007
Number of H-Donors: 10
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | ADMET | MIC | 40.0 | ug.mL-1 | 10.1021/np500041x |